3,5-dinitrobenzoyl chloride

Dangerous Goods

CAS number：99-33-2 molecular formula：C7H3ClN2O5

overview

Specs

numbering system

physicochemical properties

Safety information

Production methods and uses

MSDS

overview

compound introduction

溶于乙醇、苯、氯仿、乙醚和氢氧化钠溶液。能被水、醇分解，在潮湿空气中水解生成二硝基苯甲酸及盐酸。 Crystals of 3,5-dinitrobenzoyl chloride (DNBC) belong to the orthorhombic crystal system and space group Pna2. It is widely used reagent for the detection of alcohols.Usually used for the quantitative estimation of hydroxyl groups in pyridine.3,5-Dinitrobenzoyl chloride may be used for the quantitative estimation of hydroxyl groups in pyridine. It may be used in the synthesis of following: · 3,5-diamino-N-cyclopropylbenzamide · 3,5-dinitro-N-cyclopropylbenzamide · 4-(3,5-dinitrophenyl)-6-(dipropan-2-ylamino)-2H-1,3,5-thiadiazine-2-thione4 3,5-Dinitrobenzoyl chloride may also be used as derivatizing agent for the following: · biogenic amines present in fermented foods, which can be determined using liquid chromatography method(LC) · polyamines, present in biological fluids, which can be determined using high performance liquid chromatography(HPLC) Crystals of 3,5-dinitrobenzoyl chloride (DNBC) belong to the orthorhombic crystal system and space group Pna2. It is widely used reagent for the detection of alcohols. Usually used for the quantitative estimation of hydroxyl groups in pyridine.3,5-Dinitrobenzoyl chloride may be used for the quantitative estimation of hydroxyl groups in pyridine. It may be used in the synthesis of following: · 3,5-diamino-N-cyclopropylbenzamide · 3,5-dinitro-N-cyclopropylbenzamide · 4-(3,5-dinitrophenyl)-6-(dipropan-2-ylamino)-2H-1,3,5-thiadiazine-2-thione4 3,5-Dinitrobenzoyl chloride may also be used as derivatizing agent for the following: · biogenic amines present in fermented foods, which can be determined using liquid chromatography method(LC) · polyamines, present in biological fluids, which can be determined using high performance liquid chromatography(HPLC)

Specs

Chinese alias	3,5-二硝基氯化苯甲酰
English alias	DNBC \| 3,5-Dinitrobenzoyl chloride, 98% \| 3,5-Dinitrobenzoylchloride \| AC-10854 \| NCI60_002195 \| 4-09-00-01350 (Beilstein Handbook Reference) \| DTXSID2059194 \| EINECS 202-750-6 \| W-100041 \| 3,5-DINITROBENZOYL CHLORIDE [MI] \| FT-0614720 \| 5JFA2DVM4D \| NSC2
CAS number	99-33-2	molecular formula	C7H3ClN2O5
molecular weight	230.56	Exact mass	≥98%
PSA	109	logp	2.5

numbering system

CAS	99-33-2
UNII	5JFA2DVM4D
HMDB ID	HMDB0246068
Wikidata	Q223024
ChEMBL ID	CHEMBL2005426
Wikipedia	3,5-Dinitrobenzoyl_chloride
NSC Number	NSC Number: NSC2697
PubChem CID	7432
Nikkaji Number	J3.992F
DSSTox Substance ID	DTXSID2059194
生态与环境部编号	_25Q1B3AOU
European Community (EC) Number	202-750-6
PubChem Reference Collection SID	505482800

physicochemical properties

XLogP3	2.5
复杂性	275
Exact Mass	229.9730489
化学类别	氮化合物 -> 其他芳烃（氮）
形式电荷	0
物理描述	固体；淡黄色晶体；[Sigma-Aldrich MSDS]
重原子计数	15
Molecular Weight	230.56
Monoisotopic Mass	229.9730489
可旋转键计数	1
氢键供体计数	0
氢键受体计数	5
Kovats 保留指数	半标准非极性：1706
共价键单元计数	1
同位素原子计数	0
拓扑极性表面积	109 Å²
定义键立体中心计数	0
定义原子立体中心计数	0
未定义键立体中心计数	0
未定义原子手性中心计数	0

Safety information

危害摘要：

高度刺激；引起烧伤和催泪；吸入可能对上呼吸道和肺部造成腐蚀性损伤；以肝脏和肾脏为目标；[Sigma-Aldrich MSDS] 与水剧烈反应；加热时可能爆炸；[Alfa Aesar MSDS] 参见苯甲酰氯和间二硝基苯。

有害效应：

毒性肺炎 - 因吸入金属烟雾或有毒气体和蒸汽引起的肺部炎症。

法规信息：

新西兰EPA化学品状态清单：3,5-二硝基苯甲酰氯：没有单独批准，但可在适当的团体标准下使用

危害类别和分类：

皮肤腐蚀性1B (100%)

Production methods and uses

purpose

用途：

来源/用途：用作鉴定氨基酸、缩醛和酮缩醇的试剂

工业应用参考：

工业分类参考：医药制造业。应用场景参考：可延伸到医疗、生物医药、科研院所及第三方检测等专业场景，但具体适用范围仍依赖技术条件。作用参考：在电池、电子、信息材料和高端制造等技术方向，常被视为可拓展的功能材料或中间材料。选型提示：涉及安全应用管理时，仍应以 MSDS、产品详情页和现场工艺控制要求为准，不应由参考文案替代。

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